CID 13285559

Brn 4202490

Structural Information

Molecular Formula
C14H20N6S2
SMILES
CC1=CC(=NC(=N1)SCCCCSC2=NC(=CC(=N2)N)C)N
InChI
InChI=1S/C14H20N6S2/c1-9-7-11(15)19-13(17-9)21-5-3-4-6-22-14-18-10(2)8-12(16)20-14/h7-8H,3-6H2,1-2H3,(H2,15,17,19)(H2,16,18,20)
InChIKey
WNCNIOVYNWNZBH-UHFFFAOYSA-N
Compound name
2-[4-(4-amino-6-methylpyrimidin-2-yl)sulfanylbutylsulfanyl]-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11908 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12636 174.1
[M+Na]+ 359.10830 186.1
[M+NH4]+ 354.15290 180.5
[M+K]+ 375.08224 175.9
[M-H]- 335.11180 177.5
[M+Na-2H]- 357.09375 179.8
[M]+ 336.11853 177.6
[M]- 336.11963 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.